Geometry & MOs

Info

ID:	45368
PubChem CID:	10512151
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	198.06808
ΔH_f, kcal/mol:	-195.87
Dipole, Da:	4.12
IP(EA), eV:	-10.38(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(O[C@@H]2C[C@H]3[C@@H]([C@@H]2O1)CC(=O)O3)C

DOS

IR

Vibrations